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4NHV

Crystal structure of B. anthracis DHPS with interfacial compound 4: 5-(trifluoromethyl)-1,2-benzoxazol-3-amine

Functional Information from GO Data
ChainGOidnamespacecontents
A0004156molecular_functiondihydropteroate synthase activity
A0005829cellular_componentcytosol
A0009396biological_processfolic acid-containing compound biosynthetic process
A0016740molecular_functiontransferase activity
A0042558biological_processpteridine-containing compound metabolic process
A0044237biological_processcellular metabolic process
A0046654biological_processtetrahydrofolate biosynthetic process
A0046656biological_processfolic acid biosynthetic process
A0046872molecular_functionmetal ion binding
B0004156molecular_functiondihydropteroate synthase activity
B0005829cellular_componentcytosol
B0009396biological_processfolic acid-containing compound biosynthetic process
B0016740molecular_functiontransferase activity
B0042558biological_processpteridine-containing compound metabolic process
B0044237biological_processcellular metabolic process
B0046654biological_processtetrahydrofolate biosynthetic process
B0046656biological_processfolic acid biosynthetic process
B0046872molecular_functionmetal ion binding
Functional Information from PDB Data
site_idAC1
Number of Residues7
DetailsBINDING SITE FOR RESIDUE SO4 A 301
ChainResidue
AILE25
AASN27
AARG68
APRO69
AARG254
AHIS256
AHOH436

site_idAC2
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 A 302
ChainResidue
ALYS50
AARG53

site_idAC3
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 A 303
ChainResidue
ASER75
AVAL76

site_idAC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 A 304
ChainResidue
ASER221
AARG234

site_idAC5
Number of Residues1
DetailsBINDING SITE FOR RESIDUE SO4 A 305
ChainResidue
AARG219

site_idAC6
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 A 306
ChainResidue
ALYS172
AARG177
AASP178
AHOH446

site_idAC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 A 307
ChainResidue
ALEU229
AARG263

site_idAC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE 2O6 A 308
ChainResidue
AGLU236
AGLU236
AMET264
AMET264

site_idAC9
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 B 301
ChainResidue
BARG254
BHIS256
BHOH423

site_idBC1
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 B 302
ChainResidue
BLYS50
BARG53

site_idBC2
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 B 303
ChainResidue
BSER221
BARG234

site_idBC3
Number of Residues1
DetailsBINDING SITE FOR RESIDUE SO4 B 304
ChainResidue
BARG219

site_idBC4
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 B 305
ChainResidue
BASN15
BASN17

site_idBC5
Number of Residues1
DetailsBINDING SITE FOR RESIDUE SO4 B 306
ChainResidue
BLYS266

site_idBC6
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 B 307
ChainResidue
BLEU229
BARG263

site_idBC7
Number of Residues2
DetailsBINDING SITE FOR RESIDUE SO4 B 308
ChainResidue
BARG201
BASN202

site_idBC8
Number of Residues4
DetailsBINDING SITE FOR RESIDUE 2O6 B 309
ChainResidue
BGLU236
BGLU236
BMET264
BMET264

Functional Information from PROSITE/UniProt
site_idPS00792
Number of Residues16
DetailsDHPS_1 Dihydropteroate synthase signature 1. ImGILNvTpDSFsDgG
ChainResidueDetails
AILE22-GLY37

site_idPS00793
Number of Residues14
DetailsDHPS_2 Dihydropteroate synthase signature 2. GAhIIDIGGesTrP
ChainResidueDetails
AGLY56-PRO69

221051

PDB entries from 2024-06-12

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